DIROCAFTOR

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H28N2O3Si2
Molecular Weight	424.6403
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIROCAFTOR

Structure Search

SMILES

C[Si](C)(C)C1=CC(=C(O)C=C1NC(=O)C2=CNC3=C(C=CC=C3)C2=O)[Si](C)(C)C

InChI

InChIKey=TYQIFWXBQYAKCR-UHFFFAOYSA-N

InChI=1S/C22H28N2O3Si2/c1-28(2,3)19-12-20(29(4,5)6)18(25)11-17(19)24-22(27)15-13-23-16-10-8-7-9-14(16)21(15)26/h7-13,25H,1-6H3,(H,23,26)(H,24,27)

HIDE SMILES / InChI

Molecular Formula	C22H28N2O3Si2
Molecular Weight	424.6403
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:40:34 GMT 2023` Edited by `admin` on `Sat Dec 16 13:40:34 GMT 2023`
Record UNII	2G3T6M1AS9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIROCAFTOR

Official Name

English

DIROCAFTOR [USAN]

Common Name

English

dirocaftor [INN]

Common Name

English

N-[5-Hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

Systematic Name

English

3-QUINOLINECARBOXAMIDE, 1,4-DIHYDRO-N-(5-HYDROXY-2,4-BIS(TRIMETHYLSILYL)PHENYL)-4-OXO-

Systematic Name

English

PTI-808

Code

English

Code System Code Type Description

PUBCHEM

141671949

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

NCI_THESAURUS

C175060

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

SMS_ID

300000025632

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

INN

11355

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

FDA UNII

2G3T6M1AS9

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

CAS

2137932-23-9

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

USAN

GH-70

Created by admin on Sat Dec 16 13:40:34 GMT 2023 , Edited by admin on Sat Dec 16 13:40:34 GMT 2023

PRIMARY

Related Record Type Details


					PW7453NX3R

CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

TARGET -> ACTIVATOR

Comments:

PTI-808 is a small molecule “potentiator” that is intended to rescue mutant cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel activity. The Sponsor intends to develop PTI-808 as part of a triple combination therapy with PTI-801 (CFTR “corrector”) and PTI-428 (CFTR “amplifier”) in cystic fibrosis patients

Amount:

Related Record Type Details


					2G3T6M1AS9

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
NOAEL	TOXICITY				ORGAN SYSTEM OR TYPE OF EFFECT TOXICITY SPECIES TOXICITY ROUTE OF ADMINISTRATION TOXICITY COMMENTS TOXICITY